C199H250Cl2F3N33O30 — CID 159744990
(2-amino-2-oxoethyl) 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate (PubChem CID 159744990) has the molecular formula C199H250Cl2F3N33O30 and a molecular weight of 3712.29 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate.
| Compound Name | (2-amino-2-oxoethyl) 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate |
|---|---|
| PubChem CID | 159744990 |
| Molecular Formula | C199H250Cl2F3N33O30 |
| Molecular Weight | 3712.29 g/mol |
| Exact Mass | 3708.84 |
| IUPAC Name | (2-amino-2-oxoethyl) 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(5-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-4-yl]butanoate |
| SMILES | CCCc1cnc(N2CCC(CCC(=O)OCC(N)=O)CC2)nc1.CCc1cnc(N2CCC(CCC(=O)OCC(N)=O)CC2)nc1.CCc1cnc(N2CCC(CCCC(=O)OCC(N)=O)CC2)nc1.CNC(=O)COC(=O)CCCC1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.NC(=O)COC(=O)CC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.NC(=O)COC(=O)CC1CCN(c2ccc(-c3ccccc3)cn2)CC1.NC(=O)COC(=O)CCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.NC(=O)COC(=O)CCC1CCN(c2ccc(-c3ccccc3)cn2)CC1.NC(=O)COC(=O)CCCC1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.NC(=O)COC(=O)CCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1 |
| InChI | InChI=1S/C23H28ClN3O3.C22H26ClN3O3.C22H26FN3O3.C21H24FN3O3.C21H25N3O3.C20H22FN3O3.C20H23N3O3.2C17H26N4O3.C16H24N4O3/c1-25-22(28)16-30-23(29)4-2-3-17-11-13-27(14-12-17)21-10-7-19(15-26-21)18-5-8-20(24)9-6-18;2*23-19-7-4-17(5-8-19)18-6-9-21(25-14-18)26-12-10-16(11-13-26)2-1-3-22(28)29-15-20(24)27;22-18-5-2-16(3-6-18)17-4-7-20(24-13-17)25-11-9-15(10-12-25)1-8-21(27)28-14-19(23)26;22-19(25)15-27-21(26)9-6-16-10-12-24(13-11-16)20-8-7-18(14-23-20)17-4-2-1-3-5-17;21-17-4-1-15(2-5-17)16-3-6-19(23-12-16)24-9-7-14(8-10-24)11-20(26)27-13-18(22)25;21-18(24)14-26-20(25)12-15-8-10-23(11-9-15)19-7-6-17(13-22-19)16-4-2-1-3-5-16;1-2-13-10-19-17(20-11-13)21-8-6-14(7-9-21)4-3-5-16(23)24-12-15(18)22;1-2-3-14-10-19-17(20-11-14)21-8-6-13(7-9-21)4-5-16(23)24-12-15(18)22;1-2-12-9-18-16(19-10-12)20-7-5-13(6-8-20)3-4-15(22)23-11-14(17)21/h5-10,15,17H,2-4,11-14,16H2,1H3,(H,25,28);2*4-9,14,16H,1-3,10-13,15H2,(H2,24,27);2-7,13,15H,1,8-12,14H2,(H2,23,26);1-5,7-8,14,16H,6,9-13,15H2,(H2,22,25);1-6,12,14H,7-11,13H2,(H2,22,25);1-7,13,15H,8-12,14H2,(H2,21,24);10-11,14H,2-9,12H2,1H3,(H2,18,22);10-11,13H,2-9,12H2,1H3,(H2,18,22);9-10,13H,2-8,11H2,1H3,(H2,17,21) |
| InChIKey | NCXVYULOTVOSHT-UHFFFAOYSA-N |
| XLogP | 25.76 |
| TPSA | 879.88 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 267 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3712.29 |
| LogP ≤ 5 | 25.76 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 53 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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